CID 581530

1,4-difluoro-2,3-dimethylbenzene

Structural Information

Molecular Formula
C8H8F2
SMILES
CC1=C(C=CC(=C1C)F)F
InChI
InChI=1S/C8H8F2/c1-5-6(2)8(10)4-3-7(5)9/h3-4H,1-2H3
InChIKey
XPAQTSZVOILIGO-UHFFFAOYSA-N
Compound name
1,4-difluoro-2,3-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
Patents

142.0594 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.06668 128.9
[M+Na]+ 165.04862 141.9
[M+NH4]+ 160.09322 137.4
[M+K]+ 181.02256 134.8
[M-H]- 141.05212 129.3
[M+Na-2H]- 163.03407 135.4
[M]+ 142.05885 130.8
[M]- 142.05995 130.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe